9,10,12,13-Tetrahydroxyoctadecanoic acid
PubChem CID: 92800
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| Compound Synonyms | 9,10,12,13-Tetrahydroxyoctadecanoic acid, Sativic acid, 541-82-2, 9,10,12,13-tetrahydroxy-octadecanoic acid, Octadecanoic acid, 9,10,12,13-tetrahydroxy-, Santivinic acid, Sativinic acid, .alpha.-Sativic acid, SCHEMBL7209818, DTXSID40968973, CHEBI:138499, LMFA02000148, NSC147793, 9,10,12,13-tetrahydroxystearic acid, NSC-147793 |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Description | Sativic acid, also known as sativate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, sativic acid is considered to be an octadecanoid lipid molecule. Sativic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Sativic acid can be found in rice, which makes sativic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,10,12,13-tetrahydroxyoctadecanoic acid |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 2.6 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C18H36O6 |
| Inchi Key | VJOGZGLNDROOFS-UHFFFAOYSA-N |
| Rotatable Bond Count | 16.0 |
| Synonyms | Sativate |
| Compound Name | 9,10,12,13-Tetrahydroxyoctadecanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 348.251 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 348.251 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 348.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C18H36O6/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17,19-22H,2-13H2,1H3,(H,23,24) |
| Smiles | CCCCCC(C(CC(C(CCCCCCCC(=O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all